N-butyl-4-[6-chloranyl-2-[2-oxidanylidene-2-(pentylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide

Systemtic Name: N-butyl-4-[6-chloranyl-2-[2-oxidanylidene-2-(pentylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Openeye Name: N-butyl-4-[6-chloro-2-[2-oxo-2-(pentylamino)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide CAS Name: N-butyl-4-[6-chloro-2-[[2-oxo-2-(pentylamino)ethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[6-chloro-2-[2-oxo-2-(pentylamino)ethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazine-1-carboxamide Traditional Name: 4-[2-[[2-(amylamino)-2-keto-ethyl]thio]-6-chloro-pyrimidin-4-yl]-N-butyl-2-methyl-piperazine-1-carboxamide Formula: C21H35ClN6O2S MolecularWeight: 471.0596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)NCCCC

Isomeric SMILES

CCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)NCCCC

InChI

InChI=1S/C21H35ClN6O2S/c1-4-6-8-10-23-19(29)15-31-20-25-17(22)13-18(26-20)27-11-12-28(16(3)14-27)21(30)24-9-7-5-2/h13,16H,4-12,14-15H2,1-3H3,(H,23,29)(H,24,30)